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Chlorine in PDB 2ab8: Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp

Enzymatic activity of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp

All present enzymatic activity of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp:
2.7.1.20;

Protein crystallography data

The structure of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp, PDB code: 2ab8 was solved by Y.Zhang, M.H.El Kouni, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.80 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.489, 61.488, 91.605, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 23

Other elements in 2ab8:

The structure of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp (pdb code 2ab8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp, PDB code: 2ab8:

Chlorine binding site 1 out of 1 in 2ab8

Go back to Chlorine Binding Sites List in 2ab8
Chlorine binding site 1 out of 1 in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside and Amp-Pcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2001

b:16.1
occ:1.00
 OG1 A:THR167 3.0 15.7 1.0
O A:HOH2009 3.1 17.9 1.0
N A:ASN20 3.3 14.9 1.0
N A:ALA71 3.3 14.2 1.0
C2 A:MTP1001 3.3 27.0 1.0
CB A:ALA71 3.7 15.7 1.0
CA A:GLY19 3.7 14.7 1.0
CG2 A:THR167 3.9 14.3 1.0
CB A:SER70 3.9 16.2 1.0
N A:SER70 3.9 17.7 1.0
CB A:THR167 3.9 15.4 1.0
N3 A:MTP1001 4.0 32.1 1.0
C A:GLY19 4.0 13.8 1.0
CB A:TYR169 4.1 17.7 1.0
CA A:ALA71 4.1 15.2 1.0
CB A:ASN20 4.2 13.9 1.0
O A:ASN20 4.2 16.5 1.0
CA A:SER70 4.2 16.2 1.0
CA A:ASN20 4.2 17.0 1.0
C A:SER70 4.2 16.4 1.0
N1 A:MTP1001 4.3 27.3 1.0
CD1 A:TYR169 4.3 19.6 1.0
ND2 A:ASN20 4.3 17.9 1.0
CG A:ASN20 4.5 18.7 1.0
C A:ASN20 4.6 15.4 1.0
C A:GLY69 4.7 19.0 1.0
CG A:TYR169 4.7 15.4 1.0
OG A:SER70 4.8 15.5 1.0
CG2 A:THR170 4.8 13.8 1.0

Reference:

Y.Zhang, M.H.El Kouni, S.E.Ealick. Substrate Analogs Induce An Intermediate Conformational Change in Toxoplasma Gondii Adenosine Kinase Acta Crystallogr.,Sect.D V. 63 126 2007.
ISSN: ISSN 0907-4449
PubMed: 17242506
DOI: 10.1107/S0907444906043654
Page generated: Sat Dec 12 08:58:34 2020

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